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- W2137704844 abstract "We analyze the intrinsic geometric flexibility of framework structures incorporating linear metal--cyanide--metal $(mathrm{M}text{--}mathrm{CN}text{--}{mathrm{M}}^{ensuremath{'}})$ linkages using a reciprocal-space dynamical matrix approach. We find that this structural motif is capable of imparting a significant negative thermal expansion (NTE) effect upon such materials. In particular, we show that the topologies of a number of simple cyanide-containing framework materials support a very large number of low-energy rigid-unit phonon modes, all of which give rise to NTE behavior. We support our analysis by presenting experimental verification of this behavior in the family of compounds ${mathrm{Zn}}_{x}{mathrm{Cd}}_{1ensuremath{-}x}{(mathrm{CN})}_{2}$, which we show to exhibit a NTE effect over the temperature range $25--375phantom{rule{0.3em}{0ex}}mathrm{K}$ more than double that of materials such as $mathrm{Zr}{mathrm{W}}_{2}{mathrm{O}}_{8}$." @default.
- W2137704844 created "2016-06-24" @default.
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- W2137704844 date "2005-04-21" @default.
- W2137704844 modified "2023-10-14" @default.
- W2137704844 title "Negative thermal expansion and low-frequency modes in cyanide-bridged framework materials" @default.
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- W2137704844 doi "https://doi.org/10.1103/physrevb.71.140301" @default.
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